Structure Database (LMSD)
Common Name
10,11-dihydro-Resolvin E1
Systematic Name
5S,12,18S-trihydroxy-6Z,8E,14Z,16E-eicosatetraenoic acid
Synonyms
- 10,11-dihydro-RvE1
LM ID
LMFA03140001
Formula
Exact Mass
Calculate m/z
352.224975
Sum Composition
Status
Curated
3D model of 10,11-dihydro-Resolvin E1
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
KOYKAOBHYIJNTF-ZWLIVBFSSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-5,7-9,11,13,17-19,21-23H,2,6,10,12,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,13-7-/t17-,18?,19+/m0/s1
SMILES (Click to copy)
C(CCC[C@H](O)/C=C\C=C\CCC(O)C/C=C\C=C\[C@@H](O)CC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
385.31
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
3.99
Molar Refractivity
101.75
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Created at
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Updated at
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